(6S)-3'-(4,4-difluoropiperidin-1-yl)-7'-(2-fluoro-3-pyridinyl)spiro[2,3-dihydro-1,4-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine

C25H22F3N5O2 — CID 67382987

IUPAC(6S)-3'-(4,4-difluoropiperidin-1-yl)-7'-(2-fluoro-3-pyridinyl)spiro[2,3-dihydro-1,4-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine
SMILESNC1CN=C[C@]2(O1)c1cc(-c3cccnc3F)ccc1Oc1cnc(N3CCC(F)(F)CC3)cc12
InChIInChI=1S/C25H22F3N5O2/c26-23-16(2-1-7-31-23)15-3-4-19-17(10-15)25(14-30-13-21(29)35-25)18-11-22(32-12-20(18)34-19)33-8-5-24(27,28)6-9-33/h1-4,7,10-12,14,21H,5-6,8-9,13,29H2/t21?,25-/m0/s1
InChIKeyNMDYMWVYJJAMAB-QBGQUKIHSA-N
MW481.48 g/mol
LogP4.25
Rot. Bonds2

About (6S)-3'-(4,4-difluoropiperidin-1-yl)-7'-(2-fluoro-3-pyridinyl)spiro[2,3-dihydro-1,4-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine

(6S)-3'-(4,4-difluoropiperidin-1-yl)-7'-(2-fluoro-3-pyridinyl)spiro[2,3-dihydro-1,4-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine (PubChem CID 67382987) has the molecular formula C25H22F3N5O2 and a molecular weight of 481.48 g/mol. Its IUPAC name is (6S)-3'-(4,4-difluoropiperidin-1-yl)-7'-(2-fluoro-3-pyridinyl)spiro[2,3-dihydro-1,4-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine.

Molecular Properties

Compound Name(6S)-3'-(4,4-difluoropiperidin-1-yl)-7'-(2-fluoro-3-pyridinyl)spiro[2,3-dihydro-1,4-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine
PubChem CID67382987
Molecular FormulaC25H22F3N5O2
Molecular Weight481.48 g/mol
Exact Mass481.17
IUPAC Name(6S)-3'-(4,4-difluoropiperidin-1-yl)-7'-(2-fluoro-3-pyridinyl)spiro[2,3-dihydro-1,4-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine
SMILESNC1CN=C[C@]2(O1)c1cc(-c3cccnc3F)ccc1Oc1cnc(N3CCC(F)(F)CC3)cc12
InChIInChI=1S/C25H22F3N5O2/c26-23-16(2-1-7-31-23)15-3-4-19-17(10-15)25(14-30-13-21(29)35-25)18-11-22(32-12-20(18)34-19)33-8-5-24(27,28)6-9-33/h1-4,7,10-12,14,21H,5-6,8-9,13,29H2/t21?,25-/m0/s1
InChIKeyNMDYMWVYJJAMAB-QBGQUKIHSA-N
XLogP4.25
TPSA85.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.48
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (6S)-3'-(4,4-difluoropiperidin-1-yl)-7'-(2-fluoro-3-pyridinyl)spiro[2,3-dihydro-1,4-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine with MolForge

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Related Compounds

(4S)-3'-(4,4-difluoropiperidin-1-yl)-1'-fluoro-7'-(2-fluoro-3-pyridinyl)spiro[5H-1,3-thiazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 58466230
(6S)-7'-(2,5-difluorophenyl)-3'-(2-fluoro-4-pyridinyl)spiro[2,3-dihydro-1,4-oxazine-6,5'-chromeno[2,3-b]pyridine]-2-amine
CID 67382910
(6S)-3'-(2,2-dimethylpropoxy)-7'-(5-fluoro-3-pyridinyl)spiro[2,3-dihydro-1,4-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine
CID 67382700
[(2S)-5-amino-3'-(4,4-difluoropiperidin-1-yl)-1'-fluoro-7'-(2-fluoro-3-pyridinyl)spiro[2,6-dihydro-1,4-oxazine-3,5'-chromeno[2,3-c]pyridine]-2-yl] 2,2,2-trifluoroacetate
CID 87400159
3'-(3,3-difluoropyrrolidin-1-yl)-7'-pyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 67436461
(2R)-2'-(2-fluoro-3-pyridinyl)-7'-(2-fluoro-4-pyridinyl)spiro[morpholine-6,9'-xanthene]-2-amine
CID 67382799
3-(dimethylamino)-7-(2-fluoro-3-pyridinyl)-5-methylchromeno[2,3-c]pyridin-5-ol
CID 67383486
(4S)-3'-chloro-7'-(2-fluoro-3-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 86640739
7'-(2-fluoro-3-pyridinyl)-3'-(oxan-4-yl)spiro[5H-1,3-thiazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 67383033
3-chloro-7-(2-fluoro-3-pyridinyl)spiro[chromeno[2,3-c]pyridine-5,4'-pyrido[3,2-d][1,3]oxazine]-2'-amine
CID 87127198
3-chloro-7-(2-fluoro-3-pyridinyl)spiro[chromeno[2,3-c]pyridine-5,4'-pyrido[2,3-e][1,3]oxazine]-2'-amine
CID 56654479
3'-(3,6-dihydro-2H-pyran-4-yl)-7'-(2-fluoro-3-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 67241023

Frequently Asked Questions

What is the IUPAC name of (6S)-3'-(4,4-difluoropiperidin-1-yl)-7'-(2-fluoro-3-pyridinyl)spiro[2,3-dihydro-1,4-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine?
The IUPAC name of (6S)-3'-(4,4-difluoropiperidin-1-yl)-7'-(2-fluoro-3-pyridinyl)spiro[2,3-dihydro-1,4-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine (CID 67382987) is (6S)-3'-(4,4-difluoropiperidin-1-yl)-7'-(2-fluoro-3-pyridinyl)spiro[2,3-dihydro-1,4-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine.
What is the SMILES notation for (6S)-3'-(4,4-difluoropiperidin-1-yl)-7'-(2-fluoro-3-pyridinyl)spiro[2,3-dihydro-1,4-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine?
The canonical SMILES for (6S)-3'-(4,4-difluoropiperidin-1-yl)-7'-(2-fluoro-3-pyridinyl)spiro[2,3-dihydro-1,4-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine is NC1CN=C[C@]2(O1)c1cc(-c3cccnc3F)ccc1Oc1cnc(N3CCC(F)(F)CC3)cc12.
What is the InChIKey of (6S)-3'-(4,4-difluoropiperidin-1-yl)-7'-(2-fluoro-3-pyridinyl)spiro[2,3-dihydro-1,4-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine?
The InChIKey is NMDYMWVYJJAMAB-QBGQUKIHSA-N. The full InChI is InChI=1S/C25H22F3N5O2/c26-23-16(2-1-7-31-23)15-3-4-19-17(10-15)25(14-30-13-21(29)35-25)18-11-22(32-12-20(18)34-19)33-8-5-24(27,28)6-9-33/h1-4,7,10-12,14,21H,5-6,8-9,13,29H2/t21?,25-/m0/s1.
What are the key properties of (6S)-3'-(4,4-difluoropiperidin-1-yl)-7'-(2-fluoro-3-pyridinyl)spiro[2,3-dihydro-1,4-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine?
(6S)-3'-(4,4-difluoropiperidin-1-yl)-7'-(2-fluoro-3-pyridinyl)spiro[2,3-dihydro-1,4-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine has a molecular weight of 481.48 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3'-(4,4-difluoropiperidin-1-yl)-7'-(2-fluoro-3-pyridinyl)spiro[2,3-dihydro-1,4-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine is sourced from PubChem (CID 67382987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).